Molecule ID: mol3142
SMILES: CN(C)CCN(C)CCN(C)C
InChI: InChI=1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.40 | IUPAC digitized pKa | 3 » 2 |
| 2.40 | QSARToolbox | 3 » 2 |
| 2.57 | Datawarrior | 3 » 2 |
| 2.73 | IUPAC digitized pKa | 3 » 2 |
| 8.12 | IUPAC digitized pKa | 2 » 1 |
| 8.40 | QSARToolbox | 2 » 1 |
| 8.40 | IUPAC digitized pKa | 2 » 1 |
| 8.63 | Datawarrior | 2 » 1 |
| 9.00 | OCHEM | 2 » 1 |
| 9.00 | OCHEM | 2 » 1 |
| 9.35 | IUPAC digitized pKa | 1 » 0 |
| 9.40 | QSARToolbox | 1 » 0 |
| 9.40 | IUPAC digitized pKa | 1 » 0 |
| 9.40 | Datawarrior | 1 » 0 |
| 9.55 | Datawarrior | 1 » 0 |
| 9.55 | OCHEM | 1 » 0 |